SCHEMBL7640668

SCHEMBL7640668

CCOC(=O)c1ccccc1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.57
PRKCZ Q05513 1/20 0.57
AR P10275 7/20 0.54
TSHR P16473 1/20 0.54
RAB9A P51151 2/20 0.52
GAA P10253 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
CACNA1D Q01668 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.48
SCN1A P35498 1/20 0.48
SCN2A Q99250 1/20 0.48
SCN3A Q9NY46 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9488402 0.84 SLC6A3 (0.63) MAPTARTSHRGAASMN1; SMN2
SCHEMBL27675217 0.83 ALDH1A1 (0.50) MAPTTSHRGAASMN1; SMN2CACNA1D
SCHEMBL4235424 0.82 MAPT (0.48) MAPTPRKCZARRAB9AGAA
SCHEMBL276323 0.82 AR (0.56) MAPTPRKCZARRAB9AGAA
SCHEMBL27686802 0.82 TSHR (0.65) MAPTTSHRRAB9AGAASMN1; SMN2
SCHEMBL3230316 0.82 TSHR (0.65) MAPTTSHRGAASMN1; SMN2L3MBTL1
SCHEMBL29500171 0.82 TSHR (0.65) MAPTTSHRGAASMN1; SMN2L3MBTL1
SCHEMBL396552 0.82 TSHR (0.69) MAPTTSHRRAB9AGAASMN1; SMN2
SCHEMBL28160007 0.81 TSHR (0.51) MAPTARTSHRRAB9ASMN1; SMN2
SCHEMBL8606461 0.81 TSHR (0.62) MAPTTSHRMEN1KMT2ASCN1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6340772-B2 AROMATIZATION OF CYCLOHEXENONE DERIVATIVES VIA (CHLORO)CYCLOHEXADIENE NIPPON KAYAKU CO., LTD. (JP) 2002-01-22 US disclosed
US-20010020112-A1 Process for preparing (hetero) aromatic substituted benzene derivatives TOYA TETSUYA (JP) 2001-09-06 US disclosed
US-6271418-B1 AROMATIZATION OF CYCLOHEXENONE DERIVATIVES VIA (CHLORO)CYCLOHEXADIENE DERIVATIVES. NIPPON KAYAKU CO., LTD. (JP) 2001-08-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20010020112-A1 Process for preparing (hetero) aromatic substituted benzene derivatives AHR, CYP3A4, CYP4B1 MAPT 4234/4885PRKCZ 4599/4885AR 686/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.